Issue 14, 1972

Reaction path for the proton transfer NH4+/NH3; an ab initio SCF-LCAO-MO study

Abstract

The proton jump from NH4+ to NH3 is found to occur by a contraction of the associated species NH4+⋯ NH3, with a computed energy barrier of 2·5 kcal mol–1.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1972, 817-818

Reaction path for the proton transfer NH4+/NH3; an ab initio SCF-LCAO-MO study

J. J. Delpuech, G. Serratrice, A. Strich and A. Veillard, J. Chem. Soc., Chem. Commun., 1972, 817 DOI: 10.1039/C39720000817

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